Coarse-graining molecular dynamics simulations of TLR4 complexes
São Paulo Advanced School on Computational Materials Science for Energy and Enviro...
Evaluation of thermal conductivity from Green's functions molecular dynamics
DEVELOPMENTS AND APPLICATIONS OF COMPUTATIONAL METHODS TO SIMULATE SOFT MATTER
Development of a virtual high performance software laboratory for nanotherapy simu...
Molecular dynamics simulations of nuclear receptors: ligand-protein free energy es...